2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid

C10H19N3O4 — CID 61161394

IUPAC2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-10(2,3)7(9(16)17)13-8(15)5(11)4-6(12)14/h5,7H,4,11H2,1-3H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyGEQYKHIXWPJEEC-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.20
Rot. Bonds5

About 2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid

2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 61161394) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
PubChem CID61161394
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-10(2,3)7(9(16)17)13-8(15)5(11)4-6(12)14/h5,7H,4,11H2,1-3H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyGEQYKHIXWPJEEC-UHFFFAOYSA-N
XLogP-1.20
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

2-(2-aminohexanoylamino)-3,3-dimethylbutanoic acid
CID 61161199
(2R)-2-(2-aminopropanoylamino)-3,3-dimethylbutanoic acid
CID 103927205
(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-fluoro-4-methylpentanoic acid
CID 134300907
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid
CID 18218968
2-[(2-amino-3-phenylpropanoyl)amino]-3,3-dimethylbutanoic acid
CID 61162163
2-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 107471760
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CID 101266612
(2R)-2-[(3-amino-4,4-dimethylpentanoyl)amino]-3,3-dimethylbutanoic acid
CID 113353116
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224533
(2R)-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-3,3-dimethylbutanoic acid
CID 103927168
(2S)-2-(2-ethylbutanoylamino)-3,3-dimethylbutanoic acid
CID 61143229

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid (CID 61161394) is 2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)C(N)CC(N)=O)C(=O)O.
What is the InChIKey of 2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is GEQYKHIXWPJEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-10(2,3)7(9(16)17)13-8(15)5(11)4-6(12)14/h5,7H,4,11H2,1-3H3,(H2,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid?
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61161394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).